N-(diphenylphosphorylmethyl)-N-ethylethanamine

C17H22NOP — CID 796655

IUPACN-(diphenylphosphorylmethyl)-N-ethylethanamine
SMILESCCN(CC)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-3-18(4-2)15-20(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyZZLNOYOQQDEVPH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.30
Rot. Bonds6

About N-(diphenylphosphorylmethyl)-N-ethylethanamine

N-(diphenylphosphorylmethyl)-N-ethylethanamine (PubChem CID 796655) has the molecular formula C17H22NOP and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)-N-ethylethanamine
PubChem CID796655
Molecular FormulaC17H22NOP
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(diphenylphosphorylmethyl)-N-ethylethanamine
SMILESCCN(CC)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-3-18(4-2)15-20(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyZZLNOYOQQDEVPH-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diphenylphosphorylmethyl)-N-ethylethanamine?
The IUPAC name of N-(diphenylphosphorylmethyl)-N-ethylethanamine (CID 796655) is N-(diphenylphosphorylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(diphenylphosphorylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(diphenylphosphorylmethyl)-N-ethylethanamine is CCN(CC)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(diphenylphosphorylmethyl)-N-ethylethanamine?
The InChIKey is ZZLNOYOQQDEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NOP/c1-3-18(4-2)15-20(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of N-(diphenylphosphorylmethyl)-N-ethylethanamine?
N-(diphenylphosphorylmethyl)-N-ethylethanamine has a molecular weight of 287.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)-N-ethylethanamine is sourced from PubChem (CID 796655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).